3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea

C16H20FN3O2 — CID 167820299

IUPAC3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
SMILESCN(C(=O)NCCc1c[nH]c2cccc(F)c12)C1CC(O)C1
InChIInChI=1S/C16H20FN3O2/c1-20(11-7-12(21)8-11)16(22)18-6-5-10-9-19-14-4-2-3-13(17)15(10)14/h2-4,9,11-12,19,21H,5-8H2,1H3,(H,18,22)
InChIKeyHLVOPKRHHKCSMI-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.01
Rot. Bonds4

About 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea

3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea (PubChem CID 167820299) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
PubChem CID167820299
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
SMILESCN(C(=O)NCCc1c[nH]c2cccc(F)c12)C1CC(O)C1
InChIInChI=1S/C16H20FN3O2/c1-20(11-7-12(21)8-11)16(22)18-6-5-10-9-19-14-4-2-3-13(17)15(10)14/h2-4,9,11-12,19,21H,5-8H2,1H3,(H,18,22)
InChIKeyHLVOPKRHHKCSMI-UHFFFAOYSA-N
XLogP2.01
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxy-1H-indol-3-yl)ethyl]-1-methyl-1-(thiolan-3-yl)urea
CID 84597587
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
CID 167960853
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 110012348
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167831605
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;ethane
CID 145142426
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluoro-1H-indol-3-yl)acetamide
CID 110851708
(2S)-2-amino-3-(4-(18F)fluoro-1H-indol-3-yl)propanoic acid
CID 177451224
3-(4-fluoro-1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 139519420
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea?
The IUPAC name of 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea (CID 167820299) is 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea.
What is the SMILES notation for 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea?
The canonical SMILES for 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea is CN(C(=O)NCCc1c[nH]c2cccc(F)c12)C1CC(O)C1.
What is the InChIKey of 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea?
The InChIKey is HLVOPKRHHKCSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-20(11-7-12(21)8-11)16(22)18-6-5-10-9-19-14-4-2-3-13(17)15(10)14/h2-4,9,11-12,19,21H,5-8H2,1H3,(H,18,22).
What are the key properties of 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea?
3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea has a molecular weight of 305.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea is sourced from PubChem (CID 167820299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).